N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C17H26N2O4S2 — CID 649136

IUPACN-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O4S2/c1-18(15-7-3-2-4-8-15)24(20,21)16-9-11-17(12-10-16)25(22,23)19-13-5-6-14-19/h9-12,15H,2-8,13-14H2,1H3
InChIKeyUSIMFNPNPLMUQT-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.42
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 649136) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID649136
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC NameN-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O4S2/c1-18(15-7-3-2-4-8-15)24(20,21)16-9-11-17(12-10-16)25(22,23)19-13-5-6-14-19/h9-12,15H,2-8,13-14H2,1H3
InChIKeyUSIMFNPNPLMUQT-UHFFFAOYSA-N
XLogP2.42
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 649136) is N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is USIMFNPNPLMUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-18(15-7-3-2-4-8-15)24(20,21)16-9-11-17(12-10-16)25(22,23)19-13-5-6-14-19/h9-12,15H,2-8,13-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 649136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).